EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:03:27 REMARK 6 MODELLER OBJECTIVE FUNCTION: 70.5416 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 26.087 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1372.46655 REMARK 6 GA341 score: 0.81424 REMARK 6 Normalized DOPE score: -0.08952 REMARK 6 TEMPLATE: 1llmC01 101:C - 123:C MODELS 1: - 23: AT 26.1% ATOM 1 N GLU 163 -8.030 49.322 72.052 1.00 20.60 N ATOM 2 CA GLU 163 -7.138 48.136 72.081 1.00 20.60 C ATOM 3 CB GLU 163 -7.808 46.983 72.843 1.00 20.60 C ATOM 4 CG GLU 163 -6.933 45.735 72.961 1.00 20.60 C ATOM 5 CD GLU 163 -7.729 44.693 73.727 1.00 20.60 C ATOM 6 OE1 GLU 163 -8.825 45.045 74.240 1.00 20.60 O ATOM 7 OE2 GLU 163 -7.251 43.531 73.812 1.00 20.60 O ATOM 8 C GLU 163 -6.836 47.669 70.696 1.00 20.60 C ATOM 9 O GLU 163 -7.609 47.905 69.770 1.00 20.60 O ATOM 10 N ARG 164 -5.670 47.019 70.515 1.00106.71 N ATOM 11 CA ARG 164 -5.321 46.536 69.213 1.00106.71 C ATOM 12 CB ARG 164 -4.019 47.197 68.728 1.00106.71 C ATOM 13 CG ARG 164 -4.128 48.726 68.785 1.00106.71 C ATOM 14 CD ARG 164 -2.795 49.478 68.852 1.00106.71 C ATOM 15 NE ARG 164 -3.127 50.849 69.337 1.00106.71 N ATOM 16 CZ ARG 164 -2.407 51.437 70.337 1.00106.71 C ATOM 17 NH1 ARG 164 -1.296 50.827 70.848 1.00106.71 N ATOM 18 NH2 ARG 164 -2.798 52.646 70.836 1.00106.71 N ATOM 19 C ARG 164 -5.078 45.066 69.362 1.00106.71 C ATOM 20 O ARG 164 -3.936 44.620 69.449 1.00106.71 O ATOM 21 N SER 165 -6.165 44.272 69.369 1.00 48.17 N ATOM 22 CA SER 165 -6.072 42.856 69.571 1.00 48.17 C ATOM 23 CB SER 165 -7.423 42.203 69.911 1.00 48.17 C ATOM 24 OG SER 165 -7.843 42.607 71.206 1.00 48.17 O ATOM 25 C SER 165 -5.511 42.146 68.380 1.00 48.17 C ATOM 26 O SER 165 -4.822 41.140 68.541 1.00 48.17 O ATOM 27 N PHE 166 -5.765 42.636 67.152 1.00 65.62 N ATOM 28 CA PHE 166 -5.334 41.846 66.035 1.00 65.62 C ATOM 29 CB PHE 166 -6.383 41.747 64.923 1.00 65.62 C ATOM 30 CG PHE 166 -7.443 40.909 65.541 1.00 65.62 C ATOM 31 CD1 PHE 166 -8.399 41.479 66.347 1.00 65.62 C ATOM 32 CD2 PHE 166 -7.468 39.550 65.331 1.00 65.62 C ATOM 33 CE1 PHE 166 -9.374 40.708 66.930 1.00 65.62 C ATOM 34 CE2 PHE 166 -8.441 38.775 65.914 1.00 65.62 C ATOM 35 CZ PHE 166 -9.399 39.353 66.711 1.00 65.62 C ATOM 36 C PHE 166 -4.070 42.373 65.464 1.00 65.62 C ATOM 37 O PHE 166 -3.954 43.553 65.138 1.00 65.62 O ATOM 38 N THR 167 -3.085 41.466 65.322 1.00100.74 N ATOM 39 CA THR 167 -1.802 41.845 64.822 1.00100.74 C ATOM 40 CB THR 167 -0.686 41.532 65.783 0.50100.74 C ATOM 41 OG1 THR 167 0.533 42.091 65.322 1.00100.74 O ATOM 42 CG2 THR 167 -0.544 40.007 65.924 1.00100.74 C ATOM 43 C THR 167 -1.537 41.078 63.566 1.00100.74 C ATOM 44 O THR 167 -1.839 39.888 63.471 1.00100.74 O ATOM 45 N CYS 168 -0.960 41.759 62.557 1.00 33.52 N ATOM 46 CA CYS 168 -0.629 41.108 61.327 1.00 33.52 C ATOM 47 CB CYS 168 -0.373 42.084 60.165 1.00 33.52 C ATOM 48 SG CYS 168 0.103 41.239 58.624 1.00 33.52 S ATOM 49 C CYS 168 0.632 40.348 61.573 1.00 33.52 C ATOM 50 O CYS 168 1.560 40.843 62.210 1.00 33.52 O ATOM 51 N THR 169 0.677 39.099 61.078 1.00103.92 N ATOM 52 CA THR 169 1.811 38.252 61.290 1.00103.92 C ATOM 53 CB THR 169 1.581 36.862 60.772 1.00103.92 C ATOM 54 OG1 THR 169 1.392 36.887 59.366 1.00103.92 O ATOM 55 CG2 THR 169 0.328 36.292 61.459 1.00103.92 C ATOM 56 C THR 169 3.009 38.824 60.594 1.00103.92 C ATOM 57 O THR 169 4.103 38.845 61.157 1.00103.92 O ATOM 58 N GLN 170 2.833 39.287 59.340 1.00104.17 N ATOM 59 CA GLN 170 3.940 39.794 58.576 1.00104.17 C ATOM 60 CB GLN 170 3.486 40.209 57.165 1.00104.17 C ATOM 61 CG GLN 170 4.573 40.837 56.291 1.00104.17 C ATOM 62 CD GLN 170 3.869 41.541 55.137 1.00104.17 C ATOM 63 OE1 GLN 170 3.839 41.045 54.012 1.00104.17 O ATOM 64 NE2 GLN 170 3.289 42.738 55.422 1.00104.17 N ATOM 65 C GLN 170 4.515 41.037 59.188 1.00104.17 C ATOM 66 O GLN 170 5.677 41.057 59.590 1.00104.17 O ATOM 67 N CYS 171 3.694 42.106 59.279 1.00 99.27 N ATOM 68 CA CYS 171 4.119 43.391 59.770 1.00 99.27 C ATOM 69 CB CYS 171 3.081 44.494 59.534 1.00 99.27 C ATOM 70 SG CYS 171 2.756 44.819 57.781 1.00 99.27 S ATOM 71 C CYS 171 4.324 43.361 61.247 1.00 99.27 C ATOM 72 O CYS 171 5.330 43.849 61.760 1.00 99.27 O ATOM 73 N GLY 172 3.363 42.761 61.970 1.00 22.66 N ATOM 74 CA GLY 172 3.427 42.791 63.399 1.00 22.66 C ATOM 75 C GLY 172 2.702 44.029 63.836 1.00 22.66 C ATOM 76 O GLY 172 2.698 44.380 65.015 1.00 22.66 O ATOM 77 N LYS 173 2.061 44.724 62.875 1.00 55.31 N ATOM 78 CA LYS 173 1.315 45.919 63.148 1.00 55.31 C ATOM 79 CB LYS 173 0.959 46.688 61.865 1.00 55.31 C ATOM 80 CG LYS 173 0.389 48.083 62.116 1.00 55.31 C ATOM 81 CD LYS 173 0.443 48.994 60.888 1.00 55.31 C ATOM 82 CE LYS 173 -0.123 50.395 61.132 1.00 55.31 C ATOM 83 NZ LYS 173 0.264 51.294 60.021 1.00 55.31 N ATOM 84 C LYS 173 0.055 45.505 63.845 1.00 55.31 C ATOM 85 O LYS 173 -0.404 44.376 63.680 1.00 55.31 O ATOM 86 N SER 174 -0.531 46.403 64.667 1.00 40.58 N ATOM 87 CA SER 174 -1.690 46.019 65.428 1.00 40.58 C ATOM 88 CB SER 174 -1.530 46.307 66.930 1.00 40.58 C ATOM 89 OG SER 174 -0.399 45.608 67.424 1.00 40.58 O ATOM 90 C SER 174 -2.873 46.802 64.955 1.00 40.58 C ATOM 91 O SER 174 -2.748 47.955 64.546 1.00 40.58 O ATOM 92 N PHE 175 -4.068 46.172 65.005 1.00 51.85 N ATOM 93 CA PHE 175 -5.255 46.835 64.548 1.00 51.85 C ATOM 94 CB PHE 175 -5.773 46.299 63.202 1.00 51.85 C ATOM 95 CG PHE 175 -4.743 46.591 62.163 1.00 51.85 C ATOM 96 CD1 PHE 175 -3.699 45.719 61.960 1.00 51.85 C ATOM 97 CD2 PHE 175 -4.813 47.728 61.392 1.00 51.85 C ATOM 98 CE1 PHE 175 -2.739 45.970 61.007 1.00 51.85 C ATOM 99 CE2 PHE 175 -3.856 47.987 60.436 1.00 51.85 C ATOM 100 CZ PHE 175 -2.819 47.107 60.242 1.00 51.85 C ATOM 101 C PHE 175 -6.355 46.620 65.541 1.00 51.85 C ATOM 102 O PHE 175 -6.448 45.580 66.191 1.00 51.85 O ATOM 103 N ALA 176 -7.223 47.640 65.676 1.00 35.79 N ATOM 104 CA ALA 176 -8.334 47.605 66.581 1.00 35.79 C ATOM 105 CB ALA 176 -9.077 48.951 66.672 1.00 35.79 C ATOM 106 C ALA 176 -9.323 46.567 66.148 1.00 35.79 C ATOM 107 O ALA 176 -9.903 45.871 66.980 1.00 35.79 O ATOM 108 N LYS 177 -9.566 46.439 64.829 1.00 62.89 N ATOM 109 CA LYS 177 -10.577 45.508 64.422 1.00 62.89 C ATOM 110 CB LYS 177 -11.783 46.165 63.735 1.00 62.89 C ATOM 111 CG LYS 177 -12.648 46.970 64.702 1.00 62.89 C ATOM 112 CD LYS 177 -13.667 47.873 64.007 1.00 62.89 C ATOM 113 CE LYS 177 -14.635 48.566 64.971 1.00 62.89 C ATOM 114 NZ LYS 177 -13.933 49.632 65.716 1.00 62.89 N ATOM 115 C LYS 177 -10.019 44.502 63.473 1.00 62.89 C ATOM 116 O LYS 177 -9.080 44.766 62.725 1.00 62.89 O ATOM 117 N LYS 178 -10.625 43.300 63.501 1.00 34.64 N ATOM 118 CA LYS 178 -10.252 42.187 62.682 1.00 34.64 C ATOM 119 CB LYS 178 -11.130 40.951 62.928 1.00 34.64 C ATOM 120 CG LYS 178 -11.051 40.354 64.330 1.00 34.64 C ATOM 121 CD LYS 178 -12.194 39.367 64.585 1.00 34.64 C ATOM 122 CE LYS 178 -12.176 38.712 65.962 1.00 34.64 C ATOM 123 NZ LYS 178 -13.320 37.779 66.077 1.00 34.64 N ATOM 124 C LYS 178 -10.481 42.557 61.253 1.00 34.64 C ATOM 125 O LYS 178 -9.690 42.212 60.379 1.00 34.64 O ATOM 126 N GLN 179 -11.580 43.283 60.983 1.00 76.99 N ATOM 127 CA GLN 179 -11.946 43.624 59.639 1.00 76.99 C ATOM 128 CB GLN 179 -13.229 44.473 59.598 1.00 76.99 C ATOM 129 CG GLN 179 -13.078 45.800 60.344 1.00 76.99 C ATOM 130 CD GLN 179 -14.383 46.571 60.236 1.00 76.99 C ATOM 131 OE1 GLN 179 -14.828 46.903 59.138 1.00 76.99 O ATOM 132 NE2 GLN 179 -15.014 46.874 61.401 1.00 76.99 N ATOM 133 C GLN 179 -10.850 44.427 59.014 1.00 76.99 C ATOM 134 O GLN 179 -10.463 44.177 57.875 1.00 76.99 O ATOM 135 N ASN 180 -10.304 45.410 59.750 1.00 68.51 N ATOM 136 CA ASN 180 -9.270 46.229 59.191 1.00 68.51 C ATOM 137 CB ASN 180 -8.852 47.405 60.090 1.00 68.51 C ATOM 138 CG ASN 180 -7.994 48.340 59.244 1.00 68.51 C ATOM 139 OD1 ASN 180 -8.223 48.499 58.045 1.00 68.51 O ATOM 140 ND2 ASN 180 -6.969 48.967 59.882 1.00 68.51 N ATOM 141 C ASN 180 -8.064 45.379 58.958 1.00 68.51 C ATOM 142 O ASN 180 -7.343 45.557 57.980 1.00 68.51 O ATOM 143 N LEU 181 -7.804 44.419 59.861 1.00 40.68 N ATOM 144 CA LEU 181 -6.643 43.587 59.730 1.00 40.68 C ATOM 145 CB LEU 181 -6.530 42.562 60.870 0.50 40.68 C ATOM 146 CG LEU 181 -5.322 41.617 60.736 0.50 40.68 C ATOM 147 CD1 LEU 181 -3.985 42.373 60.824 0.50 40.68 C ATOM 148 CD2 LEU 181 -5.416 40.459 61.742 0.50 40.68 C ATOM 149 C LEU 181 -6.714 42.810 58.452 1.00 40.68 C ATOM 150 O LEU 181 -5.727 42.724 57.721 1.00 40.68 O ATOM 151 N LYS 182 -7.889 42.234 58.137 1.00101.01 N ATOM 152 CA LYS 182 -7.985 41.399 56.974 1.00101.01 C ATOM 153 CB LYS 182 -9.379 40.769 56.798 1.00101.01 C ATOM 154 CG LYS 182 -9.394 39.650 55.755 1.00101.01 C ATOM 155 CD LYS 182 -8.544 38.449 56.172 1.00101.01 C ATOM 156 CE LYS 182 -8.327 37.417 55.063 1.00101.01 C ATOM 157 NZ LYS 182 -7.410 36.351 55.535 1.00101.01 N ATOM 158 C LYS 182 -7.687 42.212 55.752 1.00101.01 C ATOM 159 O LYS 182 -6.901 41.805 54.897 1.00101.01 O ATOM 160 N ILE 183 -8.287 43.409 55.649 1.00 80.03 N ATOM 161 CA ILE 183 -8.063 44.222 54.492 1.00 80.03 C ATOM 162 CB ILE 183 -8.884 45.475 54.475 1.00 80.03 C ATOM 163 CG1 ILE 183 -8.504 46.386 55.646 1.00 80.03 C ATOM 164 CG2 ILE 183 -10.366 45.060 54.455 1.00 80.03 C ATOM 165 CD1 ILE 183 -9.075 47.794 55.531 1.00 80.03 C ATOM 166 C ILE 183 -6.616 44.593 54.473 1.00 80.03 C ATOM 167 O ILE 183 -5.982 44.622 53.420 1.00 80.03 O ATOM 168 N HIS 184 -6.054 44.868 55.662 1.00 46.40 N ATOM 169 CA HIS 184 -4.688 45.280 55.781 1.00 46.40 C ATOM 170 ND1 HIS 184 -2.114 46.783 57.141 1.00 46.40 N ATOM 171 CG HIS 184 -2.776 45.607 57.413 1.00 46.40 C ATOM 172 CB HIS 184 -4.253 45.391 57.251 1.00 46.40 C ATOM 173 NE2 HIS 184 -0.572 45.331 57.824 1.00 46.40 N ATOM 174 CD2 HIS 184 -1.819 44.731 57.830 1.00 46.40 C ATOM 175 CE1 HIS 184 -0.799 46.561 57.403 1.00 46.40 C ATOM 176 C HIS 184 -3.808 44.258 55.150 1.00 46.40 C ATOM 177 O HIS 184 -2.963 44.588 54.319 1.00 46.40 O ATOM 178 N MET 185 -3.984 42.977 55.511 1.00 43.00 N ATOM 179 CA MET 185 -3.124 42.001 54.920 1.00 43.00 C ATOM 180 CB MET 185 -3.147 40.639 55.626 1.00 43.00 C ATOM 181 CG MET 185 -2.583 40.678 57.046 1.00 43.00 C ATOM 182 SD MET 185 -2.382 39.038 57.803 1.00 43.00 S ATOM 183 CE MET 185 -4.137 38.586 57.696 1.00 43.00 C ATOM 184 C MET 185 -3.591 41.781 53.492 1.00 43.00 C ATOM 185 O MET 185 -2.970 40.933 52.796 1.00 43.00 O ATOM 186 OXT MET 185 -4.571 42.457 53.079 1.00 43.00 O